[(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)(2-phenylethyl)amine

• ChemBase ID: 597945
• Molecular Formular: C24H38N2O
• Molecular Mass: 370.57132
• Monoisotopic Mass: 370.29841385
• SMILES: N1(CCC(CN(CC2OCCC2)CCc2ccccc2)CC1)C1CCCC1
• Canonical SMILES: C1COC(C1)CN(CC1CCN(CC1)C1CCCC1)CCc1ccccc1
• InChI: InChI=1S/C24H38N2O/c1-2-7-21(8-3-1)12-15-25(20-24-11-6-18-27-24)19-22-13-16-26(17-14-22)23-9-4-5-10-23/h1-3,7-8,22-24H,4-6,9-20H2
• InChIKey: YQBPLTLFIIWGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)(2-phenylethyl)amine
• IUPAC Traditional name: [(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)(2-phenylethyl)amine
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-phenyl-N-(tetrahydro-2-furanylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.33708
• LogD (pH = 7.4): -0.2408132
• Log P: 4.4640017
• Molar Refractivity: 114.2927 cm^3
• Polarizability: 45.004208 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.94
• LOG S: -3.76
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8